SCHEMBL6086570

SCHEMBL6086570

CCC(N)(CC)C(=O)OCCNc1ccc2c(c1)CO/C2=C1/C(=O)Nc2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
MAPT P10636 4/20 0.35
KDM4E B2RXH2 1/20 0.35
NTRK1 P04629 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CCNA1 P78396 1/20 0.35
PGR P06401 8/20 0.34
NR3C1 P04150 7/20 0.34
NR3C2 P08235 5/20 0.34
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PRF1 P14222 1/20 0.33
ALK Q9UM73 2/20 0.33
GAA P10253 1/20 0.33
RXFP1 Q9HBX9 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6087293 0.88 NTRK1 (0.38) IDO1TDO2MAPTKDM4ENTRK1
SCHEMBL6087297 0.88 NTRK1 (0.38) IDO1TDO2MAPTKDM4ENTRK1
SCHEMBL6086573 0.85 PDGFRB (0.37) IDO1TDO2MAPTKDM4ENTRK1
SCHEMBL14725094 0.82 NTRK1 (0.36) IDO1TDO2MAPTKDM4ENTRK1
SCHEMBL6086825 0.82 LMNA (0.37) MAPTNTRK1CCNA2CDK2CCNA1
SCHEMBL6086835 0.82 LMNA (0.37) MAPTNTRK1CCNA2CDK2CCNA1
SCHEMBL6088653 0.81 ALDH1A1 (0.38) MAPTNTRK1CCNA2CDK2CCNA1
SCHEMBL6088655 0.81 ALDH1A1 (0.38) MAPTNTRK1CCNA2CDK2CCNA1
SCHEMBL6086865 0.81 NTRK1 (0.42) MAPTKDM4ENTRK1CCNA2CDK2
SCHEMBL6086859 0.81 NTRK1 (0.42) MAPTKDM4ENTRK1CCNA2CDK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1490356-B1 (3Z)-3-(3-HYDRO-ISOBENZOFURAN-1-YLIDENE)-1,3-DIHYDRO-2H-INDOL-2-ONES AS KINASE INHIBITORS ALLERGAN INC (US) 2013-02-27 EP disclosed
US-7060844-B2 (3Z)-3-(2,3-dihydro-1H-inden-1-ylidene)-1,3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. (US) 2006-06-13 US disclosed
US-20060004084-A1 (3Z)-3-(2,3-dihydro-1H-inden-1-ylidene)-1,3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. 2006-01-05 US disclosed
US-20040019098-A1 (3Z)-3-(2,3-dihydro-1H-inden-1-ylidene)-1,3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. 2004-01-29 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060004084-A1 (3Z)-3-(2,3-dihydro-1H-inden-1-ylidene)-1,3-dihydro-2H-indol-2-ones as kinase inhibitors CDK2, ERBB2, MAP3K3 IDO1 213/4885TDO2 751/4885MAPT 2806/4885
US-20040019098-A1 (3Z)-3-(2,3-dihydro-1H-inden-1-ylidene)-1,3-dihydro-2H-indol-2-ones as kinase inhibitors CDK2, ERBB2, MAP3K3 IDO1 235/4885TDO2 780/4885MAPT 2710/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.